ISOCUCURBITACIN D
TL;DR: ISOCUCURBITACIN D (CAS 68422-20-8) is a chemical compound with molecular formula C30H44O7 and molecular weight 516.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
Also Known As: ISOCUCURBITACIN D, (9beta,10alpha,23E)-3alpha,16alpha,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-2,11,22-trione, 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
| Molecular Formula | C30H44O7 |
|---|---|
| Molecular Weight | 516.31 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.3087 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 68422-20-8 |
|---|---|
| SMILES | CC1(C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)C |
| InChIKey | ALPSEMFPAVSKJO-UHFFFAOYSA-N |
Product Overview
ISOCUCURBITACIN D (CAS 68422-20-8), with molecular formula C30H44O7 and molecular weight 516.31 g/mol. IUPAC: 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione.
Chemical Property Profile of ISOCUCURBITACIN D
Property Insights of ISOCUCURBITACIN D
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ISOCUCURBITACIN D. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOCUCURBITACIN D. Following Lipinski's Rule of Five, ISOCUCURBITACIN D has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ISOCUCURBITACIN D?
The CAS number of ISOCUCURBITACIN D is 68422-20-8.
What is the molecular formula of ISOCUCURBITACIN D?
The molecular formula of ISOCUCURBITACIN D is C30H44O7.
What is the molecular weight of ISOCUCURBITACIN D?
The molecular weight of ISOCUCURBITACIN D is 516.31 g/mol.
Where can I buy ISOCUCURBITACIN D?
You can request a quote for ISOCUCURBITACIN D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOCUCURBITACIN D?
Yes, KEHONG BIO provides custom synthesis services for ISOCUCURBITACIN D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.